%nproc=8
%Mem=12000MB
%Chk=Tsl_MECP_6-7_S
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.36109700   -1.95419100    1.30926800
 N                 -4.16100900   -2.03942800    3.27369400
 N                 -4.06475600   -4.09713700    0.98587500
 N                 -6.45704300   -2.57592600    1.59751100
 N                 -4.54898700   -3.19568200    3.89105100
 C                 -3.68952100   -1.20936900    4.21298400
 N                 -4.53239100   -4.90097700    1.98357200
 C                 -3.69808600   -4.88203300   -0.02662100
 N                 -6.61747800   -3.58224200    2.50644000
 C                 -7.66827800   -2.23368100    1.15756000
 B                 -5.36848100   -4.26971000    3.12249300
 C                 -4.30784000   -3.10161300    5.22348300
 C                 -3.74978900   -1.84992200    5.46408200
 C                 -3.21839800    0.16464900    3.86399100
 C                 -4.45136600   -6.20659600    1.60337100
 C                 -3.90711500   -6.23385900    0.32609400
 C                 -3.18508200   -4.28540000   -1.29889500
 C                 -7.93894000   -3.87533000    2.64324200
 C                 -8.64379300   -3.02901700    1.79598000
 H                 -5.71101700   -5.12221900    3.88917100
 C                 -4.63355400   -4.19250100    6.19519100
 C                 -4.90576900   -7.34137000    2.46765500
 C                 -8.45309900   -4.93751400    3.56442400
 H                 -3.02306700    0.24991700    2.79288900
 H                 -3.97174100    0.91814000    4.12966100
 H                 -2.29886200    0.42313000    4.40086100
 H                 -4.27582800   -3.91773600    7.19192100
 H                 -5.71383700   -4.36779300    6.25876600
 H                 -4.16701700   -5.14296400    5.91314300
 H                 -8.15691300   -4.75380400    4.60399000
 H                 -9.54631800   -4.96418800    3.52502200
 H                 -5.99335900   -7.33595400    2.60926100
 H                 -8.08097100   -5.93221700    3.29149500
 H                 -4.45056200   -7.30276900    3.46398200
 H                 -4.63242800   -8.29450700    2.00481300
 C                 -7.81782000   -1.15575200    0.12946800
 H                 -8.35720200   -0.28712500    0.52908400
 H                 -6.83026900   -0.83107000   -0.21217600
 H                 -8.38133700   -1.51349300   -0.74116200
 H                 -3.72862300   -4.68284500   -2.16485000
 H                 -3.33063000   -3.20208000   -1.26708500
 H                 -2.12155500   -4.50422500   -1.45096200
 H                 -3.70133400   -7.11232600   -0.27091900
 H                 -9.71647100   -2.99838800    1.65947200
 H                 -3.43831800   -1.45360600    6.42054300
 C                 -1.11436600   -4.47298500    2.47069800
 C                 -1.24956500   -3.15175300    2.90562800
 C                 -0.87758600   -2.10488100    2.07379200
 C                 -0.33080600   -2.35799300    0.78078700
 C                 -0.21498400   -3.71575500    0.35693300
 C                 -0.59788100   -4.74835300    1.19351200
 H                 -1.42497300   -5.28916000    3.11585100
 H                 -1.66144600   -2.94294800    3.88663200
 H                 -0.99336400   -1.07416600    2.39479400
 H                  0.19719400   -3.94191800   -0.62116400
 H                 -0.50762300   -5.77810700    0.86054100
 C                  0.08818600   -1.26490700   -0.00830800
 H                  0.12563700   -0.30249300    0.48852500
 H                 -2.81486300   -0.72666800   -0.76226900
 C                  0.60791100   -1.35210200   -1.40688000
 H                  1.14276400   -0.42897000   -1.65378200
 H                  1.32322000   -2.18070200   -1.49550900
 C                 -0.52720600   -1.57374400   -2.44230200
 H                 -1.05832400   -2.50207900   -2.20686400
 H                 -0.09911600   -1.68324500   -3.44607300
 C                 -1.51032600   -0.39989800   -2.42304100
 H                 -2.36973900   -0.60360200   -3.07416700
 H                 -1.01432800    0.50685400   -2.77908300
 N                 -1.95422400   -0.18608500   -1.04218300
 F                 -4.23355200   -1.28187000   -0.44813000
 S                 -2.05771500    1.36845800   -0.41901100
 O                 -1.09326400    2.20848200   -1.14563400
 O                 -1.94016000    1.21218200    1.03965700
 C                 -3.71362200    1.93778600   -0.76670500
 C                 -3.96567300    2.65659000   -1.93640900
 C                 -4.74614900    1.58903700    0.10725600
 C                 -5.27559400    3.03601200   -2.22608600
 H                 -3.14853500    2.92226200   -2.59943600
 C                 -6.04384400    1.98832800   -0.19409500
 H                 -4.53840500    1.01712800    1.00404100
 C                 -6.33157700    2.70837400   -1.36331300
 H                 -5.47975500    3.59794500   -3.13408200
 H                 -6.84942700    1.72674800    0.48551500
 C                 -7.74475400    3.14519000   -1.65910000
 H                 -8.47252800    2.41336600   -1.29212500
 H                 -7.97050300    4.10130100   -1.16762700
 H                 -7.91041800    3.28342000   -2.73268200

Cu     0 
S   1   1.00
      8.1760000              1.0000000        
S   1   1.00
      2.5680000              1.0000000        
S   1   1.00
      0.9587000              1.0000000        
S   1   1.00
      0.1153000              1.0000000        
S   1   1.00
      0.0396000              1.0000000        
P   1   1.00
     25.6300000              1.0000000        
P   1   1.00
      3.1660000              1.0000000        
P   1   1.00
      1.0230000              1.0000000        
P   1   1.00
      0.0860000              1.0000000        
P   1   1.00
      0.0240000              1.0000000        
D   3   1.00
     41.3400000              0.0465424        
     11.4200000              0.2227824        
      3.8390000              0.4539059        
D   1   1.00
      1.2300000              1.0000000        
D   1   1.00
      0.3102000              1.0000000        
F   1   1.00
      3.5250000              1.0000000        
****
N C H B F S O 0
6-311+G**
****

CU     0
CU-ECP     2     10
d-ul potential
  3
1    511.9951763            -10.0000000        
2     93.2801074            -72.5548282        
2     23.2206669            -12.7450231        
s-ul potential
  4
0    173.1180854              3.0000000        
1    185.2419886             23.8351825        
2     73.1517847            473.8930488        
2     14.6884157            157.6345823        
p-ul potential
  4
0    100.7191369              5.0000000        
1    130.8345665              6.4990936        
2     53.8683720            351.4605395        
2     14.0989469             85.5016036        


